3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 176969-34-9
• Molecular Formula: C6H6F2N2O2
• Molecular Weight: 176.123
• Hs Code.: 2933199090
• Mol file: 176969-34-9.mol

Synonyms:3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylicacid;3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid;

Chemical Property of 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000179mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 315.9 °C at 760 mmHg
• PKA: 3.12±0.36(Predicted)
• Flash Point: 144.851 °C
• PSA: 55.12000
• Density: 1.524 g/cm³
• LogP: 1.05590
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Sparingly)

Purity/Quality:

98%, ^*data from raw suppliers

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid can be used to prepare pesticides.

Technology Process of 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

There total 83 articles about 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)ethan-1-one → 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9)

Guidance literature:

With manganese(II) acetate dihydrate; acetic acid; at 100 ℃; for 18h; Reagent/catalyst;

Reference yield: 98.0%

ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (141573-95-7) → 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9)

Guidance literature:

With sodium hydroxide; In toluene; at 65 ℃; for 0.75h;

Reference yield: 96.3%

hexylene glycol bis((3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)carboxylate) → 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9)

Guidance literature:

With water; sodium hydroxide; In methanol; at 60 ℃; for 4h;

upstream raw materials:

ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

(Z)-2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoic acid ethyl ester

methylhydrazine

4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole

Downstream raw materials:

N-(3',4'-dichlorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

Refernces

• 1、 Wei, Ge,Huang, Ming-Wei,Wang, Wen-Jie,Wu, Yuan,Mei, Shu-Fen,Zhou, Li-Ming,Mei, Long-Can,Zhu, Xiao-Lei,Yang, Guang-Fu. "Expanding the Chemical Space of Succinate Dehydrogenase Inhibitors via the Carbon-Silicon Switch Strategy". . p. 3965 - 3971. Retrieved 2021/05/04.
• 2、 -. "3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate compounds, and preparation method and application thereof". Paragraph 0028; 0031-0032. . Retrieved 2020/01/25.